CID 461158

162151-92-0

Structural Information

Molecular Formula
C20H25NO4
SMILES
CCCCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)OC)C(=O)OC)C
InChI
InChI=1S/C20H25NO4/c1-5-6-12-21-14(2)17(19(22)24-3)18(20(23)25-4)16(21)13-15-10-8-7-9-11-15/h7-11H,5-6,12-13H2,1-4H3
InChIKey
MSUBZYFZHDXGDW-UHFFFAOYSA-N
Compound name
dimethyl 2-benzyl-1-butyl-5-methylpyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 182.8
[M+Na]+ 366.16756 190.1
[M-H]- 342.17106 188.5
[M+NH4]+ 361.21216 197.1
[M+K]+ 382.14150 187.2
[M+H-H2O]+ 326.17560 174.7
[M+HCOO]- 388.17654 203.9
[M+CH3COO]- 402.19219 214.0
[M+Na-2H]- 364.15301 180.2
[M]+ 343.17779 189.8
[M]- 343.17889 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.